3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine

C15H30N4O — CID 116760277

IUPAC3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ncnn1C)C(CC)(CC)OCC
InChIInChI=1S/C15H30N4O/c1-6-10-16-13(11-14-17-12-18-19(14)5)15(7-2,8-3)20-9-4/h12-13,16H,6-11H2,1-5H3
InChIKeyUAVSTBIRTKHYCN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds10

About 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine

3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine (PubChem CID 116760277) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
PubChem CID116760277
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ncnn1C)C(CC)(CC)OCC
InChIInChI=1S/C15H30N4O/c1-6-10-16-13(11-14-17-12-18-19(14)5)15(7-2,8-3)20-9-4/h12-13,16H,6-11H2,1-5H3
InChIKeyUAVSTBIRTKHYCN-UHFFFAOYSA-N
XLogP2.32
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
CID 104997751
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430
N-[1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105159491
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine (CID 116760277) is 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine is CCCNC(Cc1ncnn1C)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is UAVSTBIRTKHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-6-10-16-13(11-14-17-12-18-19(14)5)15(7-2,8-3)20-9-4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine?
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116760277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).